%chk=000155729.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155729

0 1
 O  -0.9482000      -3.466900     -4.9400002E-02
 O  -0.2939000      -1.734400       2.001700    
 N  -0.9737000      -2.110000     -0.1769000    
 N   -2.543300       2.681100     -0.4411000    
 C   -2.355100      -1.579300     -1.1100000E-02
 C    1.080300     -0.6647000      0.4003000    
 C  -4.4300001E-02  -1.490600      0.8119000    
 C   -2.419800     -9.0800002E-02 -0.1614000    
 C    1.707600     -0.9006000     -0.8229000    
 C    1.531500      0.3628000       1.228800    
 C    2.786200     -0.1091000      -1.217800    
 C    2.610000       1.154400      0.8340000    
 C    3.237400      0.9183000     -0.3892000    
 C   -2.640500      0.4687000      -1.411400    
 C   -2.260400      0.7240000      0.9498000    
 C    3.456800     -0.3610000      -2.525700    
 C    3.092600       2.253000       1.719700    
 C   -2.693300       1.850700      -1.497400    
 C   -2.330100       2.094500      0.7581000    
 H  -0.6823000      -1.832200      -1.132100    
 H   -2.955300      -2.082200     -0.7787000    
 H   -2.716200      -1.911300      0.9698000    
 H    1.383400      -1.710600      -1.471100    
 H    1.044900      0.5525000       2.182800    
 H    4.080700       1.533100     -0.6951000    
 H   -2.766600     -0.1428000      -2.297900    
 H   -2.100800      0.3210000       1.943500    
 H    3.908700      0.5540000      -2.923300    
 H    4.241200      -1.115000      -2.406500    
 H    2.739300     -0.7145000      -3.274100    
 H    3.539400       3.065200       1.136200    
 H    2.267200       2.688100       2.293400    
 H    3.842900       1.870000       2.418400    
 H   -2.862300       2.341800      -2.450100    
 H   -2.215200       2.778400       1.592600    


%chk=000155729-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155729

0 1
O -0.274087 -2.731215 -0.462963
O -0.437744 -0.933727 1.972617
N -0.841131 -1.405124 -0.347788
N -4.208269 2.488754 -0.509423
C -2.341810 -1.443535 -0.044332
C 1.381841 -0.449264 0.402531
C 0.039844 -0.925757 0.815659
C -2.995806 -0.085473 -0.197275
C 1.968258 -0.782156 -0.849730
C 2.062818 0.412990 1.300047
C 3.214372 -0.230677 -1.219835
C 3.317303 0.966417 0.952975
C 3.868437 0.645449 -0.312330
C -3.650404 0.278019 -1.402011
C -2.962261 0.872173 0.849162
C 3.861980 -0.584005 -2.547398
C 4.064130 1.864575 1.923503
C -4.235953 1.560040 -1.511468
C -3.575881 2.128977 0.649099
H -0.673858 -0.823872 -1.201614
H -2.735494 -2.187891 -0.755395
H -2.409196 -1.841350 0.979755
H 1.483642 -1.537700 -1.480154
H 1.597255 0.646673 2.264130
H 4.838557 1.076085 -0.594485
H -3.719542 -0.427933 -2.238030
H -2.472738 0.634874 1.799319
H 4.031674 0.318648 -3.164036
H 4.846426 -1.064985 -2.396833
H 3.235079 -1.279366 -3.130549
H 4.706442 2.589833 1.393978
H 3.369651 2.428173 2.570440
H 4.719097 1.267804 2.587496
H -4.752880 1.864315 -2.428570
H -3.570948 2.885831 1.441307


